methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate

C16H32O3Si2 — CID 89058031

IUPACmethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
SMILESCOC(=O)CC[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si2/c1-16(2,3)21(8,9)19-14(10-11-15(17)18-4)12-13-20(5,6)7/h14H,10-11H2,1-9H3/t14-/m1/s1
InChIKeyBOBFOXBEYXPWLL-CQSZACIVSA-N
MW328.60 g/mol
LogP4.21
Rot. Bonds5

About methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate

methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate (PubChem CID 89058031) has the molecular formula C16H32O3Si2 and a molecular weight of 328.60 g/mol. Its IUPAC name is methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate.

Molecular Properties

Compound Namemethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
PubChem CID89058031
Molecular FormulaC16H32O3Si2
Molecular Weight328.60 g/mol
Exact Mass328.19
IUPAC Namemethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
SMILESCOC(=O)CC[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si2/c1-16(2,3)21(8,9)19-14(10-11-15(17)18-4)12-13-20(5,6)7/h14H,10-11H2,1-9H3/t14-/m1/s1
InChIKeyBOBFOXBEYXPWLL-CQSZACIVSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate
CID 154722513
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11118818
Methyl 4-trimethylsilyloxyhex-5-ynoate
CID 14492215
4-Octynoic acid, 7-(t-butyldimethylsilyloxy)-, t-butyldimethylsilyl ester
CID 629894
Methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate
CID 10498368
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 56964828
ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 58461611
ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 58461626
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 59372853
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 72273509
Methyl 4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 76451000
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 89058030

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate?
The IUPAC name of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate (CID 89058031) is methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate.
What is the SMILES notation for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate?
The canonical SMILES for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate is COC(=O)CC[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate?
The InChIKey is BOBFOXBEYXPWLL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H32O3Si2/c1-16(2,3)21(8,9)19-14(10-11-15(17)18-4)12-13-20(5,6)7/h14H,10-11H2,1-9H3/t14-/m1/s1.
What are the key properties of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate?
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate has a molecular weight of 328.60 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate is sourced from PubChem (CID 89058031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).